1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

C17H22FN3 — CID 115938792

IUPAC1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCC(Nc1ccc(C)c(N(C)C)c1)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-5-15(16-9-7-13(18)11-19-16)20-14-8-6-12(2)17(10-14)21(3)4/h6-11,15,20H,5H2,1-4H3
InChIKeyAQGBGVXPEOKBHH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.16
Rot. Bonds5

About 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115938792) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115938792
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCC(Nc1ccc(C)c(N(C)C)c1)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-5-15(16-9-7-13(18)11-19-16)20-14-8-6-12(2)17(10-14)21(3)4/h6-11,15,20H,5H2,1-4H3
InChIKeyAQGBGVXPEOKBHH-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
3-N-[1-(5-fluoro-2-pyridinyl)propyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 115938549
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 115377070
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115938792) is 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is CCC(Nc1ccc(C)c(N(C)C)c1)c1ccc(F)cn1.
What is the InChIKey of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is AQGBGVXPEOKBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-5-15(16-9-7-13(18)11-19-16)20-14-8-6-12(2)17(10-14)21(3)4/h6-11,15,20H,5H2,1-4H3.
What are the key properties of 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 287.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115938792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).